2026-08-08_00000144|ligand|9RN5

Crystal Structure of 33 bound to the PH domain of Btk; X-ray diffraction 1.83Å
Protein #1 169 residues (96% resolved)

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPAFWIDGQYLCCSQTAKNAMGCQILEN

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPAFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2 A1JR3

InChI=1S/C13H11BrO3S/c14-8-4-12(18-6-8)7-1-2-9-10(13(15)16)5-17-11(9)3-7/h4-7H,1-3H2,(H,15,16)

c1c(csc1[C@H]2CCc3c(coc3C2)C(=O)O)Br
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference